General Information of the Compound
| Compound ID |
CP0087723
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| Compound Name |
US8993586, 8
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| Structure |
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| Formula |
C24H30N6O2
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| Molecular Weight |
434.544
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| Canonical SMILES |
Cc1[nH]nc2c(C)cc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(c1C(=O)N2)C(C)(C)C
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| InChI |
InChI=1S/C24H30N6O2/c1-14-10-16(11-18-15(2)27-28-19(14)18)22(32)29-8-6-24(7-9-29)12-17-13-25-30(23(3,4)5)20(17)21(31)26-24/h10-11,13H,6-9,12H2,1-5H3,(H,26,31)(H,27,28)
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| InChIKey |
NMQRSNGVNQRDDW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound